Synthesis and Crystal Structure of Pergolide Sulfoxide

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Title:Synthesis and Crystal Structure of Pergolide Sulfoxide
Creators:
Čejka, Jan
Horák, Zdeněk
Pakhomova, Svetlana
Kratochvíl, Bohumil
Sedmera, Petr
Havlíček, Vladimír
Cvak, Ladislav
Jegorov, Alexandr
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 63, 6, pp. 803-812
Uncontrolled Keywords:Pergolide sulfoxide, Ergot alkaloids, NMR spectroscopy, X-Ray crystal structure

Abstract

Pergolide sulfoxide (<strong>1</strong>), a metabolite of pergolide (<strong>2</strong>), has been prepared by oxidation of <strong>2</strong> with hydrogen peroxide. Its structure was determined by X-ray diffraction and compared with the structures of related ergot alkaloids. Two molecules of pergolide (<i>S</i>)- and (<i>R</i>)-sulfoxide crystallize with one molecule of water in the orthorhombic space group <i>P2</i><sub>1</sub><i>2</i><sub>1</sub><i>2</i><sub>1</sub> with <i>a</i> = 12.216(3) Å, <i>b</i> = 13.733(2) Å, <i>c</i> = 22.186(6) Å, <i>Z</i> = 4, <i>V</i> = 3 722(2) Å<sup>3</sup>.

Title:Synthesis and Crystal Structure of Pergolide Sulfoxide
Creators:
Čejka, Jan
Horák, Zdeněk
Pakhomova, Svetlana
Kratochvíl, Bohumil
Sedmera, Petr
Havlíček, Vladimír
Cvak, Ladislav
Jegorov, Alexandr
Uncontrolled Keywords:Pergolide sulfoxide, Ergot alkaloids, NMR spectroscopy, X-Ray crystal structure
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:63
Number:6
Page Range:pp. 803-812
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19980803UNSPECIFIED
ID Code:1344
Item Type:Article
Deposited On:06 Feb 2009 17:08
Last Modified:06 Feb 2009 16:08

Citation

Čejka, Jan; Horák, Zdeněk; Pakhomova, Svetlana; Kratochvíl, Bohumil; Sedmera, Petr; Havlíček, Vladimír; Cvak, Ladislav; Jegorov, Alexandr (1998) Synthesis and Crystal Structure of Pergolide Sulfoxide. Collection of Czechoslovak Chemical Communications, 63 (6). pp. 803-812. ISSN 0010-0765

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